Version2.1
2020-12-27T14:04:54Z
10.1021/jm300687e
Gaussian16
RevisionB.01
PWARBURT
31-Oct-2020
#N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2)
DUDE CC1(CC2=C([C@@H](c3c([nH]c(=O)[nH]c3=O)N2)c4ccc(o4)c5ccccc5[N+](=O)[O-])C(=O)C1)C C39795117
RHF
6-31G(d)
(6D,7F)
CC1(CC2=C([C@@H](c3c([nH]c(=O)[nH]c3=O)N2)c4ccc(o4)c5ccccc5[N+](=O)[O-])C(=O)C1)C
C01[X(C23H20N4O6)]
153
C1
535
O=c1[nH]c2NC3=C([C@@H](c2c(=O)[nH]1)c1ccc(o1)c1ccccc1[N+](=O)[O-])C(=O)CC(C3)(C)C
O=c1[nH]c2NC3=C([C@@H](c2c(=O)[nH]1)c1ccc(o1)c1ccccc1[N+](=O)[O-])C(=O)CC(C3)(C)C
CC1(C)CC(=O)C2=C(C1)NC3=C([C@H]2c4oc(cc4)c5ccccc5[N+]([O-])=O)C(=O)NC(=O)N3
InChIKey=UVJGXFOLGGCOLZ-SFHVURJKSA-N
InChI=1S/C23H20N4O6/c1-23(2)9-12-17(14(28)10-23)18(19-20(24-12)25-22(30)26-21(19)29)16-8-7-15(33-16)11-5-3-4-6-13(11)27(31)32/h3-8,18H,9-10H2,1-2H3,(H3,24,25,26,29,30)/t18-/m0/s1
InChI=1/C23H20N4O6/c1-23(2)9-12-17(14(28)10-23)18(19-20(24-12)25-22(30)26-21(19)29)16-8-7-15(33-16)11-5-3-4-6-13(11)27(31)32/h3-8,18H,9-10H2,1-2H3,(H3,24,25,26,29,30)/t18-/m0/s1/f/h24-26H
CC1(CC2=C([C@@H](c3c([nH]c(=O)[nH]c3=O)N2)c4ccc(o4)c5ccccc5[N+](=O)[O-])C(=O)C1)C
C01[X(C23H20N4O6)]
153
C01
535
O=c1[nH]c2NC3=C([C@@H](c2c(=O)[nH]1)c1ccc(o1)c1ccccc1[N+](=O)[O-])C(=O)CC(C3)(C)C
O=c1[nH]c2NC3=C([C@@H](c2c(=O)[nH]1)C1=[CH][CH]=C(O1)[C]1[CH][CH][CH][CH][C]1[N]([O])[O])C(=O)CC(C3)(C)C
CC1(C)CC(=O)C2=C(C1)NC3=C([C@H]2c4oc(cc4)[C]5[CH][CH][CH][CH][C]5N([O])[O])C(=O)NC(=O)N3
InChIKey=UVJGXFOLGGCOLZ-SFHVURJKSA-N
InChI=1S/C23H20N4O6/c1-23(2)9-12-17(14(28)10-23)18(19-20(24-12)25-22(30)26-21(19)29)16-8-7-15(33-16)11-5-3-4-6-13(11)27(31)32/h3-8,18H,9-10H2,1-2H3,(H3,24,25,26,29,30)/t18-/m0/s1
InChI=1/C23H20N4O6/c1-23(2)9-12-17(14(28)10-23)18(19-20(24-12)25-22(30)26-21(19)29)16-8-7-15(33-16)11-5-3-4-6-13(11)27(31)32/h3-8,18H,9-10H2,1-2H3,(H3,24,25,26,29,30)/t18-/m0/s1/f/h24-26H
3550.5321443894
-1549.5241406
1-A
12554.9436
117
418
535
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9.77343
-5.1866 -5.4529 -3.8063
8.4334
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-160.6938 -205.1875 -197.8167 -6.0279 -12.1115 13.8376
|XX|YY|ZZ|XY|XZ|YZ|
27.2056 -17.2882 -9.9174 -6.0279 -12.1115 13.8376
|XXX|YYY|ZZZ|XYY|XXY|XXZ|XZZ|YZZ|YYZ|XYZ|
-180.6604 -85.9147 -60.5230 -10.7935 -49.5162 -16.9492 -60.4094 -6.4151 29.2198 11.8285
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153
|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|
21.7073 28.1229 38.1959 43.6769 54.9546 69.6846 76.3164 92.7796 95.1641 106.1012 129.4376 142.8043 153.6723 164.6212 171.5961 228.2803 241.3962 243.0733 252.2514 258.7226 269.4724 288.0363 305.1416 320.4622 323.3718 346.1628 356.2350 364.7849 397.2979 402.7402 415.1338 421.7591 436.9992 450.1861 468.6997 500.4445 523.9254 530.6326 542.6013 552.0979 578.1495 597.0997 630.3511 641.5422 645.0862 663.2065 696.9207 703.6361 712.6134 718.3184 731.7251 755.2391 771.7013 774.5267 802.6549 813.5770 825.0600 853.3608 855.1429 857.3737 883.7285 897.2328 902.6719 910.0140 936.6691 964.9457 987.5196 995.8651 996.7489 1011.1832 1024.7688 1033.0720 1034.8611 1068.7214 1079.6377 1088.2158 1088.9883 1117.1977 1127.7161 1134.5722 1142.1977 1142.9900 1172.4835 1174.9786 1212.5781 1235.7398 1242.0448 1263.3302 1271.7204 1284.8417 1293.1627 1305.6372 1327.2288 1334.8707 1340.5815 1347.1417 1367.3549 1373.5564 1393.0544 1414.3174 1429.5874 1443.5306 1448.5396 1464.8276 1470.3872 1493.4033 1535.2047 1548.9440 1553.8086 1560.5702 1575.6246 1579.0094 1610.5470 1615.4483 1626.8305 1634.5182 1641.6350 1642.7869 1646.1989 1652.3213 1658.5231 1670.2890 1704.5555 1724.4426 1768.4631 1800.2173 1818.0790 1830.8471 1847.5017 1886.5046 1962.4084 1974.3700 2006.4055 3191.7138 3196.1226 3199.8899 3209.4556 3241.1173 3259.2315 3265.0498 3268.0524 3276.0573 3281.5665 3300.8773 3376.4372 3392.7951 3402.0572 3412.7540 3439.0188 3461.7587 3834.6725 3858.0881 3877.6107
6.4445 7.3354 6.2198 5.1932 6.2438 7.1751 6.8006 8.1679 5.1172 5.3394 5.2101 5.1877 6.5137 6.4279 7.4842 8.2369 3.3799 1.6156 4.3528 1.8171 4.1025 2.3478 3.6971 1.7878 5.4050 3.7205 3.1406 1.6098 3.2563 5.4204 3.1917 4.7758 5.5159 5.4205 2.8832 5.0479 1.9759 1.8907 4.2519 5.5929 4.0101 7.2237 4.0483 4.6778 4.5567 4.6585 1.4402 4.3809 5.7623 3.7109 4.9566 3.8917 6.2663 6.7237 5.5221 4.9227 6.0918 1.6385 8.7593 3.3914 5.2135 3.2770 3.3383 2.3192 2.4386 10.6167 1.4812 1.8259 1.5125 2.2250 6.6934 1.6762 1.5267 3.9855 2.4886 1.3814 3.2008 1.6409 1.3520 1.9034 1.9205 2.5777 4.1774 3.4626 2.6368 2.2314 2.8207 1.7830 2.2227 1.8412 1.6465 2.9213 1.9772 2.0052 2.1468 2.5484 2.5051 2.3596 2.2261 2.2380 1.9212 1.9347 1.7958 2.3619 1.8458 2.7580 2.2641 2.0905 1.6850 1.3393 4.7775 1.2384 1.0943 2.3280 1.0913 1.0513 1.3256 3.0231 1.4943 1.0701 1.0578 7.8128 3.4320 6.7577 6.0789 5.8549 7.1512 5.0348 10.4403 9.2605 9.3658 11.5589 8.0984 1.0664 1.0519 1.0467 1.0423 1.1005 1.1030 1.1031 1.1015 1.0962 1.1017 1.0861 1.0887 1.0923 1.0958 1.0970 1.0970 1.1011 1.0783 1.0789 1.0797
0.0018 0.0034 0.0053 0.0058 0.0111 0.0205 0.0233 0.0414 0.0273 0.0354 0.0514 0.0623 0.0906 0.1026 0.1298 0.2529 0.1160 0.0562 0.1632 0.0717 0.1755 0.1148 0.2028 0.1082 0.3330 0.2627 0.2348 0.1262 0.3028 0.5180 0.3241 0.5005 0.6206 0.6473 0.3732 0.7449 0.3196 0.3137 0.7376 1.0044 0.7897 1.5174 0.9477 1.1343 1.1172 1.2072 0.4121 1.2779 1.7241 1.1281 1.5636 1.3079 2.1987 2.3764 2.0961 1.9198 2.4432 0.7030 3.7740 1.4688 2.3989 1.5543 1.6027 1.1316 1.2605 5.8243 0.8510 1.0669 0.8854 1.3404 4.1414 1.0540 0.9633 2.6820 1.7090 0.9639 2.2364 1.2067 1.0131 1.4436 1.4762 1.9841 3.3835 2.8165 2.2843 2.0076 2.5638 1.6766 2.1179 1.7908 1.6222 2.9341 2.0521 2.1052 2.2731 2.7248 2.7596 2.6229 2.5452 2.6375 2.3134 2.3753 2.2201 2.9859 2.3513 3.6241 3.1439 2.9551 2.3968 1.9218 6.9880 1.8191 1.6724 3.5794 1.7017 1.6549 2.1048 4.8069 2.3859 1.7214 1.7144 12.8422 5.8752 11.8399 11.2012 11.1795 13.9269 9.9434 20.9958 19.4178 21.2508 26.5476 19.2082 6.4006 6.3310 6.3145 6.3256 6.8113 6.9034 6.9285 6.9315 6.9317 6.9902 6.9723 7.3128 7.4080 7.4725 7.5278 7.6442 7.7743 9.3418 9.4621 9.5649
0.1317 2.2146 0.4596 6.9357 0.8216 0.0821 0.6726 1.1018 5.2837 2.1905 2.0031 0.1890 0.1767 0.1369 1.8018 4.3631 2.1714 0.0237 3.3734 3.7954 3.0591 4.0263 5.0692 3.7943 0.9046 12.4963 7.0445 158.1608 9.8857 13.6622 0.2388 10.6766 30.3488 5.1609 2.3939 12.9247 86.9203 92.3965 25.1339 36.8421 6.9937 11.4777 1.1420 3.4678 1.8201 9.4499 81.4155 21.0396 2.0209 1.7961 2.4743 15.2344 12.2206 9.3032 3.0202 0.8354 3.8105 64.4510 82.9239 4.6650 57.4754 9.7017 37.7883 31.9828 21.5448 24.6868 0.9457 1.8819 0.2483 4.5751 8.4125 1.2484 1.5035 5.0812 10.7491 3.4550 17.2643 40.8069 0.1743 5.6230 5.8193 4.8525 6.2935 10.2085 23.7853 20.0411 3.3632 16.8552 1.1399 1.2732 73.3775 41.7041 39.5115 19.8555 37.4238 9.0012 117.5934 59.3939 7.2009 11.5875 5.9443 1.8294 9.1611 25.3815 3.8096 24.6124 9.8701 53.6878 14.9062 11.9970 245.1640 5.3829 5.4811 18.3296 1.0945 0.7927 21.6102 59.9336 16.0686 3.1767 4.9143 117.1241 567.2196 76.0135 17.4087 53.9130 67.3743 106.7053 378.2840 255.0599 324.9411 690.3810 956.9850 14.9459 11.4019 38.3453 22.3421 15.2163 13.2272 34.8988 36.0097 37.7652 52.9450 0.6483 4.3677 9.5755 9.3241 5.2680 7.2380 0.4574 72.0213 114.7560 104.9874
4.3988 3.2663 1.1050 2.6867 2.5341 0.1557 3.2991 0.6227 0.9936 3.8840 3.2419 0.0564 0.4029 3.7662 0.0715 1.4520 2.0829 0.8200 1.4619 0.6510 2.2113 1.5884 1.2720 0.7574 2.9311 1.3348 0.2211 7.9194 0.2031 2.1046 2.4954 2.6006 1.7714 3.9175 1.4399 2.8078 3.3601 1.6447 1.4728 0.7009 1.9242 6.3378 0.9768 1.0000 1.7545 1.1549 1.6755 4.9232 3.7739 1.6723 6.2641 2.6860 2.4504 7.0777 5.6905 1.2937 2.1781 2.3830 1.0254 4.4713 4.9399 5.1751 5.6114 4.9869 1.4512 10.8103 7.4608 1.1560 4.5938 5.4521 5.8144 5.8129 7.6764 3.8918 7.2812 0.4778 4.3522 63.4359 3.4929 2.3131 6.1723 22.7703 5.5249 2.4028 11.5679 14.2786 1.6893 9.5194 23.7261 6.8586 8.3006 59.9957 4.8534 24.7972 5.6840 15.1234 4.8403 3.2018 10.9679 3.6190 68.1194 9.5122 10.1799 9.9806 2.7557 9.2849 20.0012 7.2587 5.9936 1.5087 1.3710 1.2331 9.7235 30.9119 8.9594 21.8555 5.1301 35.7131 8.8338 25.6609 0.2467 12.1642 41.5773 673.5842 89.4397 98.3989 257.0927 24.3094 79.4016 53.4197 18.3844 43.7017 13.6833 20.2679 7.4561 43.0439 241.9737 39.8372 20.0166 45.1546 73.4562 129.2646 69.8147 50.6688 64.5536 99.9995 97.2661 168.5964 80.6950 103.6130 53.1820 85.9891 58.7687
0.7497 0.7088 0.7391 0.7495 0.7015 0.7335 0.7397 0.7458 0.6331 0.6842 0.5396 0.2482 0.3191 0.7470 0.7488 0.7445 0.6917 0.7127 0.0851 0.4906 0.6117 0.2980 0.5924 0.4651 0.7404 0.7148 0.7458 0.7471 0.5419 0.0556 0.1627 0.6872 0.7498 0.2893 0.2970 0.4749 0.3084 0.3903 0.1799 0.7410 0.4842 0.0521 0.7419 0.3138 0.7215 0.2945 0.7284 0.2011 0.6174 0.6455 0.1745 0.2304 0.7421 0.2846 0.3279 0.5036 0.5708 0.4670 0.7398 0.3012 0.1947 0.4790 0.2720 0.4609 0.7162 0.0707 0.7468 0.7230 0.6188 0.7339 0.1527 0.6966 0.7456 0.7500 0.7411 0.4395 0.3758 0.2557 0.3398 0.6910 0.3725 0.1402 0.3297 0.7318 0.5409 0.7483 0.6417 0.5242 0.2778 0.5426 0.2833 0.5079 0.6859 0.6374 0.7287 0.3306 0.7343 0.3469 0.5244 0.4434 0.1598 0.4871 0.6938 0.3005 0.3059 0.5465 0.5962 0.6937 0.6190 0.7473 0.7400 0.7485 0.7488 0.3082 0.7276 0.7467 0.7437 0.1822 0.7110 0.6155 0.7109 0.1212 0.7052 0.2679 0.2578 0.4246 0.4250 0.5165 0.3933 0.1168 0.3276 0.2399 0.1377 0.4472 0.6436 0.0728 0.0095 0.4877 0.7481 0.7498 0.7225 0.5014 0.7094 0.2349 0.6700 0.5845 0.1888 0.1416 0.5507 0.2107 0.1651 0.2896 0.2056
0.8569 0.8296 0.8500 0.8568 0.8246 0.8463 0.8504 0.8544 0.7754 0.8125 0.7010 0.3977 0.4838 0.8552 0.8564 0.8535 0.8178 0.8323 0.1569 0.6582 0.7591 0.4592 0.7440 0.6349 0.8508 0.8337 0.8544 0.8553 0.7029 0.1054 0.2799 0.8146 0.8570 0.4488 0.4580 0.6440 0.4714 0.5615 0.3049 0.8512 0.6525 0.0991 0.8518 0.4777 0.8382 0.4550 0.8429 0.3349 0.7635 0.7846 0.2972 0.3745 0.8520 0.4431 0.4939 0.6699 0.7268 0.6366 0.8504 0.4630 0.3260 0.6477 0.4277 0.6310 0.8346 0.1320 0.8551 0.8393 0.7646 0.8465 0.2650 0.8211 0.8542 0.8571 0.8513 0.6107 0.5463 0.4073 0.5072 0.8173 0.5428 0.2460 0.4960 0.8451 0.7021 0.8560 0.7817 0.6879 0.4348 0.7035 0.4415 0.6737 0.8137 0.7786 0.8431 0.4969 0.8468 0.5151 0.6880 0.6144 0.2756 0.6551 0.8192 0.4621 0.4685 0.7068 0.7470 0.8191 0.7647 0.8554 0.8506 0.8561 0.8563 0.4711 0.8423 0.8550 0.8530 0.3082 0.8311 0.7620 0.8311 0.2161 0.8271 0.4226 0.4099 0.5961 0.5965 0.6812 0.5645 0.2092 0.4936 0.3870 0.2421 0.6180 0.7831 0.1357 0.0188 0.6557 0.8559 0.8570 0.8389 0.6680 0.8300 0.3805 0.8024 0.7377 0.3176 0.2481 0.7102 0.3480 0.2833 0.4492 0.3410
298.150
1.00000
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53
6 6 6 6 6 6 1 6 6 7 1 6 8 7 1 6 8 7 6 6 6 6 8 6 6 6 6 6 6 7 8 8 6 8 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 12.00000 14.00307 1.00783 12.00000 15.99491 14.00307 1.00783 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 15.99491 15.99491 12.00000 15.99491 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783
11934.0113 14404.2108 18712.5608
0.99631 -0.08492 -0.01264 0.08525 0.99594 0.02884 0.01014 -0.02981 0.99950
1
0.00726 0.00601 0.00463
0.15123 0.12529 0.09645
31.23 40.46 54.96 62.84 79.07 100.26 109.80 133.49 136.92 152.66 186.23 205.46 221.10 236.85 246.89 328.44 347.32 349.73 362.93 372.24 387.71 414.42 439.03 461.07 465.26 498.05 512.54 524.84 571.62 579.45 597.29 606.82 628.74 647.72 674.35 720.03 753.81 763.46 780.68 794.35 831.83 859.09 906.93 923.04 928.14 954.21 1002.71 1012.38 1025.29 1033.50 1052.79 1086.62 1110.31 1114.37 1154.84 1170.56 1187.08 1227.80 1230.36 1233.57 1271.49 1290.92 1298.74 1309.31 1347.66 1388.34 1420.82 1432.83 1434.10 1454.87 1474.41 1486.36 1488.93 1537.65 1553.36 1565.70 1566.81 1607.40 1622.53 1632.40 1643.37 1644.51 1686.94 1690.53 1744.63 1777.95 1787.03 1817.65 1829.72 1848.60 1860.57 1878.52 1909.59 1920.58 1928.80 1938.24 1967.32 1976.24 2004.29 2034.89 2056.86 2076.92 2084.13 2107.56 2115.56 2148.67 2208.82 2228.58 2235.58 2245.31 2266.97 2271.84 2317.22 2324.27 2340.65 2351.71 2361.95 2363.60 2368.51 2377.32 2386.24 2403.17 2452.48 2481.09 2544.42 2590.11 2615.81 2634.18 2658.14 2714.26 2823.47 2840.68 2886.77 4592.16 4598.51 4603.93 4617.69 4663.24 4689.31 4697.68 4702.00 4713.52 4721.44 4749.23 4857.94 4881.48 4894.80 4910.19 4947.98 4980.70 5517.24 5550.93 5579.02
0.441852
0.467802
0.468746
0.384738
-1549.082288
-1549.056339
-1549.055395
-1549.139403
2.817642D-04
MUNgauss
RevisionA2.0
retrievium
27-Dec-2020
DUDE CC1(CC2=C([C@@H](c3c([nH]c(=O)[nH]c3=O)N2)c4ccc(o4)c5ccccc5[N+](=O)[O-])C(=O)C1)C C39795117
RHF
6-31G(d)
(6D,10F)
C1
448.138285
|X|Y|Z|
76.140495 67.562002 46.828203
62.221704
25
|36.858105|
|12.424573|36.858105|
|7.605729|12.374023|36.858105|
|4.938070|7.481501|12.641086|36.858105|
|4.353924|6.488326|7.578712|14.282834|36.858105|
|3.233762|4.281447|4.874031|7.652893|12.553225|36.858105|
|2.993027|3.901146|4.117695|5.773613|8.884740|17.635743|0.500000|
|2.896081|3.704006|4.452724|6.846433|7.699049|12.588067|0.247496|36.858105|
|3.084096|3.913336|5.129014|7.970952|6.882918|7.683485|0.160534|14.209970|36.858105|
|2.643427|3.181875|4.025468|5.289811|4.612824|5.072891|0.118154|8.030582|13.895248|53.358707|
|2.654015|3.122762|4.007137|4.905179|4.078839|4.190005|0.099358|5.825993|9.208716|26.039867|0.500000|
|2.244219|2.646251|3.160641|3.976229|3.755177|4.383116|0.108657|6.710718|7.881217|18.865858|0.262734|36.858105|
|2.023025|2.325891|2.735274|3.265780|3.061505|3.439113|0.087444|4.724148|5.432852|11.517359|0.216561|15.955375|73.516695|
|2.178215|2.594702|3.002183|3.854827|3.924086|5.016342|0.129285|7.953754|7.109214|11.304925|0.166187|13.953971|14.978646|53.358707|
|1.960270|2.296186|2.597327|3.217284|3.308244|4.140728|0.111285|5.777898|5.180085|8.121696|0.132307|9.460391|13.698370|25.982917|0.500000|
|2.382505|2.915511|3.334173|4.507816|4.985208|7.402365|0.192927|13.124733|7.927001|9.366646|0.140654|7.703300|9.509135|18.614272|0.258849|36.858105|
|2.197814|2.655936|2.916731|3.783140|4.375256|6.494016|0.195537|8.082605|5.406996|6.542043|0.106760|5.397814|7.516841|11.551831|0.216822|15.906150|73.516695|
|3.858302|5.073099|7.808868|13.687037|8.026264|6.677293|0.140511|8.025083|13.901676|11.176774|0.211116|5.268935|7.411000|6.411466|0.104960|5.170501|7.176296|53.358707|
|2.924758|3.637324|4.120233|5.702255|7.670089|12.629918|0.251125|7.736663|5.755881|5.817802|0.101152|3.838511|5.547118|5.926191|0.104091|5.925303|9.999374|7.099972|36.858105|
|2.477881|2.954111|3.212222|4.071260|5.091525|7.239750|0.188158|5.512967|4.283219|4.760384|0.084245|3.341332|4.990465|5.287583|0.097796|5.087782|9.589095|5.238239|14.190113|36.858105|
|2.353696|2.710245|2.981252|3.598502|4.160219|5.118914|0.128038|4.320058|3.710760|4.301265|0.078370|3.003922|4.615534|4.531894|0.085015|3.997154|7.206173|4.720120|8.571282|13.258604|36.858105|
|2.638908|3.039422|3.480839|4.211657|4.655167|5.325456|0.123440|4.558324|4.163379|4.734316|0.087368|3.159628|4.832735|4.558531|0.083419|3.925153|6.630107|5.535118|8.724561|8.565430|14.162285|36.858105|
|3.088843|3.741930|4.473093|5.950370|6.824076|7.888740|0.161210|6.201246|5.574829|5.781665|0.104309|3.663204|5.406918|5.264023|0.092686|4.736874|7.613203|7.555200|14.139122|8.659969|8.659327|14.153092|73.516695|
|2.561917|2.829468|3.265419|3.687029|3.783973|3.965194|0.094138|3.612407|3.550234|4.232332|0.081182|2.807084|4.428040|3.882456|0.071932|3.159321|5.273501|4.937746|5.367899|5.175625|7.372793|12.998510|14.145540|36.858105|
|2.288254|2.457107|2.725053|2.962493|3.068449|3.185548|0.079085|2.899213|2.824629|3.454486|0.066990|2.348636|3.784481|3.266920|0.061879|2.626768|4.506107|3.918733|4.124108|4.275537|6.072335|7.699214|9.368698|13.661521|36.858105|
|2.158399|2.252727|2.488282|2.611343|2.628068|2.655802|0.066578|2.477202|2.476164|3.100446|0.061338|2.109363|3.461423|2.879669|0.054920|2.260820|3.858303|3.487423|3.235361|3.272654|4.223175|5.074562|7.103632|7.861999|13.788659|36.858105|
|2.242091|2.309267|2.604887|2.678641|2.602544|2.571785|0.063752|2.454649|2.532316|3.211185|0.064680|2.153700|3.560303|2.872081|0.054465|2.216787|3.714055|3.638218|3.026031|2.937028|3.596877|4.451449|6.735066|6.765050|7.927667|13.744525|36.858105|
|2.502482|2.612544|3.068017|3.177559|2.994726|2.926424|0.070727|2.836885|3.009977|3.799141|0.077057|2.484413|4.070764|3.254465|0.060770|2.502406|4.097391|4.405721|3.418649|3.175705|3.807372|5.020548|7.979471|7.816067|6.894052|7.977994|13.792179|36.858105|
|2.693547|2.928598|3.523003|3.859008|3.684933|3.679490|0.086179|3.526201|3.704098|4.512855|0.089193|2.906924|4.632898|3.853341|0.070762|3.031439|4.905966|5.366148|4.522348|4.072783|5.021047|7.552587|11.695944|13.671350|8.043736|6.960819|7.987756|13.788645|36.858105|
|2.920193|3.260023|4.199190|4.768586|4.240230|4.175156|0.094238|4.250973|4.820585|5.848424|0.117023|3.560517|5.574801|4.533192|0.080954|3.506491|5.422588|7.197407|4.801387|4.011628|4.483676|6.387806|12.361460|7.633613|5.099909|4.539222|5.167194|7.917318|13.010360|53.358707|
|3.356651|3.685282|5.004187|5.250447|4.315460|3.926575|0.089362|3.977722|4.722976|5.720227|0.119490|3.367632|5.325846|4.190402|0.074733|3.217071|4.957360|7.850331|4.188844|3.448114|3.677462|4.909243|10.064531|5.589587|4.171893|3.909252|4.574166|6.749146|8.356841|21.610682|73.516695|
|2.641291|3.003164|3.822181|4.595876|4.171571|4.423937|0.099257|4.880054|5.609437|7.097769|0.137956|4.352944|6.702793|5.465147|0.096225|4.120131|6.196010|7.514403|5.052812|4.251321|4.631656|6.212791|12.118894|6.462412|4.495106|3.922030|4.244209|5.773719|8.362917|21.829694|16.021667|73.516695|
|4.901324|7.424240|6.514087|7.822355|12.904543|7.412406|0.194466|4.978746|4.496086|4.636202|0.086678|2.925651|4.416652|4.186395|0.075115|3.777112|6.336282|6.957909|5.883070|4.487405|3.758193|4.049664|9.430237|3.393580|2.895358|2.505335|2.444613|2.721448|3.227940|4.723061|6.339150|5.877384|36.858105|
|3.922591|5.248837|4.621817|5.411382|8.159039|6.708160|0.205418|4.472809|3.836839|4.104089|0.076164|2.697105|4.106399|3.973225|0.072733|3.633393|6.422740|5.512801|5.703370|4.733900|3.825159|3.870304|8.480634|3.180982|2.794049|2.399097|2.289459|2.485889|2.922436|4.134327|5.387157|5.232262|15.903652|73.516695|
|7.591341|12.404165|7.641240|6.672290|7.445091|4.837922|0.125529|3.789825|3.721035|4.045623|0.078665|2.540047|3.938912|3.510103|0.063798|2.997622|4.995878|6.109971|4.235948|3.441404|3.106313|3.433222|7.534968|3.095899|2.707257|2.424033|2.413022|2.677741|3.056235|4.431316|6.241175|5.322465|12.563652|14.298096|36.858105|
|7.626465|12.389832|7.537922|6.011289|5.518871|3.958842|0.105411|3.573306|3.732094|4.240390|0.084859|2.638945|4.147666|3.535963|0.064273|2.895160|4.716443|6.204713|3.216681|2.673053|2.400923|2.603732|5.597721|2.394466|2.105596|1.936198|1.973090|2.205198|2.453605|3.726819|5.358812|4.659507|6.072868|8.467516|7.553028|36.858105|
|17.536114|8.763383|6.918825|4.517366|3.831261|2.943090|0.075582|2.741182|2.992292|3.581662|0.074844|2.227173|3.608407|2.893722|0.053242|2.279844|3.710487|5.113750|2.651577|2.261651|2.158771|2.417537|4.988146|2.372809|2.121595|2.024626|2.130503|2.390101|2.538398|3.806373|5.792929|4.533261|4.039738|5.889542|5.497620|6.936873|0.500000|
|17.548005|8.777260|5.505121|4.064813|3.814744|2.934624|0.077575|2.610037|2.712291|3.200904|0.065146|2.039409|3.288669|2.726499|0.050585|2.194523|3.657811|4.430885|2.669228|2.311422|2.187944|2.402498|4.903832|2.321004|2.112350|1.996727|2.049055|2.241451|2.394655|3.459503|5.057999|4.137959|4.505239|6.758572|6.884689|6.968759|0.301723|0.500000|
|17.544753|8.744822|6.909960|4.665013|4.140730|3.139119|0.079714|2.795101|2.974616|3.482342|0.071418|2.176899|3.497664|2.874715|0.052904|2.306476|3.790822|5.046583|2.954721|2.518080|2.447646|2.790457|5.725708|2.775210|2.491312|2.371753|2.483338|2.772355|2.946610|4.265472|6.489346|4.903822|4.612356|6.657551|6.920140|5.506253|0.301303|0.301490|0.500000|
|6.726821|8.796887|17.543280|8.963291|5.743439|4.147864|0.099625|4.095296|4.959469|5.630751|0.119523|3.209695|5.020528|4.021064|0.071190|3.163740|4.874723|10.253251|3.509045|2.816497|2.632270|3.030570|6.691418|2.893715|2.445721|2.272470|2.409679|2.837832|3.178582|5.241417|8.273410|6.378545|4.915732|6.696552|5.541808|7.124817|0.199739|0.138957|0.163852|0.500000|
|7.242825|8.786226|17.503980|9.036373|6.254806|4.387124|0.102352|3.997701|4.578626|5.051248|0.103779|2.951870|4.600538|3.802468|0.067733|3.068176|4.814759|9.048237|4.033882|3.190333|3.079990|3.719960|8.333454|3.643264|3.019193|2.786700|2.973419|3.573533|4.070512|6.583820|10.943113|7.347932|5.600512|7.419495|6.709410|5.505897|0.181490|0.144629|0.217275|0.303386|0.500000|
|3.781242|4.648972|7.315376|9.285439|5.954985|5.106746|0.112543|5.939055|9.332732|10.200547|0.222350|4.880203|7.226371|5.666198|0.095261|4.307824|6.145699|25.979729|4.437049|3.427893|3.236119|3.877141|8.942182|3.657085|2.901839|2.637636|2.827196|3.511569|4.200055|8.136498|12.641886|10.794463|4.272362|6.155704|4.011548|4.079785|0.105084|0.087574|0.103347|0.213227|0.192714|0.500000|
|2.279036|2.700793|2.859795|3.553080|4.435339|6.260197|0.186102|4.978625|3.811719|4.359756|0.077209|3.164731|4.776785|5.161209|0.098298|5.006203|10.395971|4.594763|8.841459|17.816959|8.450703|5.840346|10.480926|4.053797|3.550933|2.824801|2.544309|2.703243|3.323334|4.487814|5.172881|6.245755|4.068917|8.006764|3.135075|2.517605|0.058048|0.059909|0.063588|0.070748|0.077610|0.083412|0.500000|
|2.102514|2.368849|2.563950|2.994714|3.381512|4.019533|0.104697|3.539319|3.108391|3.736222|0.069028|2.667355|4.194200|4.008366|0.077134|3.417510|6.296087|3.967181|5.844740|8.465799|17.795745|8.804461|10.468909|6.339669|6.104915|4.288253|3.512158|3.544757|4.409373|5.197331|5.650575|6.992415|3.152127|5.786415|2.688927|2.123896|0.053913|0.054857|0.060840|0.063873|0.073740|0.076774|0.193559|0.500000|
|2.166732|2.335812|2.529414|2.766234|2.947579|3.119168|0.079313|2.788837|2.646384|3.229337|0.062084|2.230015|3.592491|3.161202|0.060442|2.571611|4.514723|3.615428|4.089487|4.518304|6.674903|7.166737|8.669152|8.946932|17.745816|8.949080|5.650104|4.966366|5.696051|5.618913|6.189241|6.774855|2.842737|5.017342|2.621909|2.026475|0.055518|0.056298|0.064931|0.062980|0.076323|0.073022|0.106068|0.206806|0.500000|
|1.976097|2.041918|2.211174|2.300027|2.332455|2.360450|0.060245|2.201005|2.183976|2.756359|0.054608|1.897827|3.139375|2.604211|0.050154|2.038128|3.520309|3.058301|2.829704|2.919230|3.687326|4.140885|5.949898|5.622270|8.957041|17.726929|8.914886|5.663245|4.998247|4.919127|5.712712|5.732501|2.263070|3.907637|2.202717|1.774951|0.051571|0.051399|0.060096|0.056456|0.067990|0.063865|0.071747|0.107674|0.216674|0.500000|
|2.094132|2.118705|2.362188|2.384338|2.301765|2.258394|0.056641|2.174305|2.255105|2.900342|0.059005|1.957636|3.275976|2.595994|0.049572|1.982604|3.331973|3.246127|2.589698|2.520495|2.997756|3.558694|5.574402|4.897432|5.638549|8.887446|17.739807|8.936454|5.669326|5.716675|6.957632|6.322202|2.185084|3.649756|2.188286|1.826751|0.055787|0.053505|0.064438|0.061539|0.074528|0.070383|0.061852|0.082258|0.124191|0.214054|0.500000|
|2.517594|2.588276|3.078452|3.107239|2.841514|2.730061|0.066129|2.705695|2.950285|3.801028|0.078893|2.463288|4.085346|3.158778|0.058951|2.385902|3.869098|4.392728|3.063949|2.805297|3.225190|4.100932|6.937810|5.609078|4.966249|5.652343|8.889638|17.754541|8.961357|10.094183|12.877202|9.737950|2.570211|4.131795|2.574281|2.193529|0.067983|0.062198|0.077493|0.080961|0.100357|0.100155|0.067421|0.083340|0.107811|0.124072|0.213959|0.500000|
|7.122970|8.822948|6.864459|5.923931|6.362784|4.456508|0.112953|3.518763|3.482878|3.838305|0.075089|2.418262|3.775474|3.327326|0.060754|2.815906|4.706833|5.705253|4.251172|3.502160|3.289624|3.732241|8.020284|3.452777|3.034964|2.719575|2.703325|2.990479|3.401196|4.780514|6.760314|5.556798|9.082584|11.942189|17.487524|5.502714|0.143554|0.175852|0.214655|0.139395|0.196905|0.107953|0.086790|0.079156|0.081049|0.068277|0.067687|0.079036|0.500000|
|6.763259|8.735501|5.515291|4.943786|5.573889|4.070687|0.111505|3.259398|3.150154|3.531901|0.068856|2.273163|3.568890|3.167514|0.058430|2.685613|4.576164|4.951310|3.619481|3.083574|2.784844|2.982933|6.272759|2.707679|2.436189|2.202560|2.174177|2.361703|2.642604|3.755110|5.216092|4.566548|8.997457|13.496333|17.582022|6.973785|0.138845|0.200568|0.166763|0.123297|0.137890|0.091498|0.080239|0.068369|0.066543|0.056474|0.055382|0.063125|0.302936|0.500000|
|6.982707|8.763281|6.839926|5.284975|4.553504|3.457499|0.091227|3.292972|3.568947|4.209364|0.086460|2.609980|4.163681|3.416837|0.062312|2.716659|4.383551|5.967930|2.860088|2.404929|2.191795|2.385447|5.056802|2.232250|1.968971|1.833322|1.890457|2.120530|2.327554|3.575270|5.211063|4.488222|4.628567|6.719237|5.486020|17.541270|0.209383|0.173136|0.141550|0.212496|0.142984|0.113021|0.063003|0.054303|0.052310|0.046749|0.049002|0.059432|0.123088|0.141512|0.500000|
|5.499850|8.691773|6.826952|6.606061|6.442448|4.626199|0.125701|4.177318|4.255038|4.720300|0.092280|2.940617|4.545077|4.000021|0.072082|3.339163|5.414042|6.835438|3.536704|2.902617|2.536507|2.714585|5.927304|2.436286|2.124335|1.929753|1.950623|2.182918|2.466573|3.778256|5.315308|4.833102|6.696649|9.408998|6.814076|17.570590|0.141176|0.141298|0.122314|0.177908|0.138125|0.118490|0.076629|0.061893|0.057105|0.049064|0.049877|0.059882|0.138536|0.172467|0.301755|0.500000|
|6.949232|8.780115|5.482826|4.620439|4.553854|3.462070|0.095284|3.086064|3.131800|3.636470|0.072566|2.327616|3.701320|3.160428|0.058333|2.585306|4.313311|4.971986|2.896254|2.475729|2.231166|2.380582|4.991746|2.196737|1.967868|1.817609|1.837642|2.020239|2.222522|3.294296|4.671124|4.117535|5.406880|8.155157|6.896240|17.551419|0.170895|0.209284|0.141433|0.143207|0.123129|0.092309|0.065673|0.055469|0.053133|0.046742|0.047543|0.055587|0.142281|0.209333|0.301766|0.302078|0.500000|
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